種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F)F |
InChI | InChI | 1.03 | InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23) |
InChIKey | InChI | 1.03 | IOUZWWFXRZKIKT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |
SMILES | CACTVS | 3.385 | CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C |